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ASINEX-ZINC04966801

 MMsINC code: MMs00415607
Type: Neutral
Formula: C26H27FN2O2
SMILES:   Fc1ccc(cc1)C(N(C(=O)C=1CC=CC=1)Cc1ccccc1)C(=O)NC1CCCC1
InChI:   InChI=1/C26H27FN2O2/c27-22-16-14-20(15-17-22)24(25(30)28-23-12-6-7-13-23)29(18-19-8-2-1-3-9-19)26(31)21-10-4-5-11-21/h1-5,8-10,14-17,23-24H,6-7,11-13,18H2,(H,28,30)/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=186.507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.512 g/mol  logS: -5.66838  SlogP: 5.2026  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.278499  Sterimol/B1: 2.2433  Sterimol/B2: 5.16708  Sterimol/B3: 5.55123
  Sterimol/B4: 10.6397  Sterimol/L: 14.1696 
 
 Surface and Volume Properties
  Accessible surface: 647.132  Positive charged surface: 393.73  Negative charged surface: 253.402  Volume: 407
  Hydrophobic surface: 581.309  Hydrophilic surface: 65.823
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.